ethyl 5-methyl-3-phenyl-4-[2-[(3-phenylmethoxyphenyl)amino]pyrimidin-4-yl]-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 5-methyl-3-phenyl-4-[2-[(3-phenylmethoxyphenyl)amino]pyrimidin-4-yl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[2-(3-benzyloxyanilino)pyrimidin-4-yl]-5-methyl-3-phenyl-1H-pyrrole-2-carboxylate CAS Name: 5-methyl-3-phenyl-4-[2-(3-phenylmethoxyanilino)-4-pyrimidinyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-3-phenyl-4-[2-(3-phenylmethoxyanilino)pyrimidin-4-yl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-(3-benzoxyanilino)pyrimidin-4-yl]-5-methyl-3-phenyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C31H28N4O3 MolecularWeight: 504.57902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C2=NC(=NC=C2)NC3=CC(=CC=C3)OCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C2=NC(=NC=C2)NC3=CC(=CC=C3)OCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H28N4O3/c1-3-37-30(36)29-28(23-13-8-5-9-14-23)27(21(2)33-29)26-17-18-32-31(35-26)34-24-15-10-16-25(19-24)38-20-22-11-6-4-7-12-22/h4-19,33H,3,20H2,1-2H3,(H,32,34,35)